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Substance Name: Androstan-17-aminium, N,N-dimethyl-N-ethyl-3-hydroxy-, bromide, (3-beta,5-alpha,17-beta)-
RN: 114967-77-0
InChIKey: ZHQSUAMVBNOROL-JOLLAVNWSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H42-N-O.Br

Molecular Weight

  • 428.4948
 
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Names and Synonyms

Synonyms

  • N-(3-beta-Hydroxy-5-alpha-androstan-17-beta-yl)-N,N-dimethyl-N-ethylammonium bromide
  • RTECS BU1246000

Systematic Name

  • Androstan-17-aminium, N,N-dimethyl-N-ethyl-3-hydroxy-, bromide, (3-beta,5-alpha,17-beta)-

Registry Numbers

CAS Registry Number

  • 114967-77-0

System Generated Number

  • 0114967770

Molecular Formulas

Molecular Formula

  • C23-H42-N-O.Br

Molecular Formula Fragments

  • Br
  • C23-H42-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H42NO.BrH/c1-6-24(4,5)21-10-9-19-18-8-7-16-15-17(25)11-13-22(16,2)20(18)12-14-23(19,21)3;/h16-21,25H,6-15H2,1-5H3;1H/q+1;/p-1/t16-,17-,18-,19-,20-,21-,22-,23-;/m0./s1

InChIKey

ZHQSUAMVBNOROL-JOLLAVNWSA-M

Smiles

CC[N+](C)(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 88mg/kg (88mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 207, 1988.